Tuning the optical response in carbon doped boron nitride nanodots

Handle URI:
http://hdl.handle.net/10754/575915
Title:
Tuning the optical response in carbon doped boron nitride nanodots
Authors:
Mokkath, Junais Habeeb; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Time dependent density functional theory and the hybrid B3LYP functional are used to investigate the structural and optical properties of pristine and carbon doped hexagonal boron nitride nanodots. In agreement with recent experiments, the embedded carbon atoms are found to favor nucleation. Our results demonstrate that carbon clusters of different shapes promote an early onset of absorption by generating in-gap states. The nanodots are interesting for opto-electronics due to their tunable optical response in a wide energy window. We identify cluster sizes and shapes with optimal conversion efficiency for solar radiation and a wide absorption range form infrared to ultraviolet. This journal is
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Royal Society of Chemistry (RSC)
Journal:
J. Mater. Chem. C
Issue Date:
4-Sep-2014
DOI:
10.1039/c4tc01640h
Type:
Article
ISSN:
20507534
Sponsors:
Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST). Computational resources provided by KAUST IT are gratefully acknowledged.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS); Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorMokkath, Junais Habeeben
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-25T06:19:23Zen
dc.date.available2015-08-25T06:19:23Zen
dc.date.issued2014-09-04en
dc.identifier.issn20507534en
dc.identifier.doi10.1039/c4tc01640hen
dc.identifier.urihttp://hdl.handle.net/10754/575915en
dc.description.abstractTime dependent density functional theory and the hybrid B3LYP functional are used to investigate the structural and optical properties of pristine and carbon doped hexagonal boron nitride nanodots. In agreement with recent experiments, the embedded carbon atoms are found to favor nucleation. Our results demonstrate that carbon clusters of different shapes promote an early onset of absorption by generating in-gap states. The nanodots are interesting for opto-electronics due to their tunable optical response in a wide energy window. We identify cluster sizes and shapes with optimal conversion efficiency for solar radiation and a wide absorption range form infrared to ultraviolet. This journal isen
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST). Computational resources provided by KAUST IT are gratefully acknowledged.en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleTuning the optical response in carbon doped boron nitride nanodotsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJ. Mater. Chem. Cen
kaust.authorMokkath, Junais Habeeben
kaust.authorSchwingenschlögl, Udoen
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